Geometry & MOs

Info

ID:

121254

PubChem CID:

50760273

Reduced:

SN4O5C29H32 (1)

Stoich.:

AB4C5D29E32 (1)

Weight, g/mol:

533.234828

ΔHf, kcal/mol:

-119.65

Dipole, Da:

3.88

IP(EA), eV:

 -8.81(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dihydro-2H-quinolin-1-yl-[1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCCC(C3)C(=O)N4CC(=O)NC5=CC=CC=C54)C

DOS

IR

Vibrations